N'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide

C21H31N3O3 — CID 42065366

IUPACN'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
SMILESCCCN1CCCc2cc(CCNC(=O)C(=O)NC[C@@H]3CCCO3)ccc21
InChIInChI=1S/C21H31N3O3/c1-2-11-24-12-3-5-17-14-16(7-8-19(17)24)9-10-22-20(25)21(26)23-15-18-6-4-13-27-18/h7-8,14,18H,2-6,9-13,15H2,1H3,(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeyFZFFALPIPBKSAT-SFHVURJKSA-N
MW373.50 g/mol
LogP1.80
Rot. Bonds7

About N'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide

N'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide (PubChem CID 42065366) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
PubChem CID42065366
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
SMILESCCCN1CCCc2cc(CCNC(=O)C(=O)NC[C@@H]3CCCO3)ccc21
InChIInChI=1S/C21H31N3O3/c1-2-11-24-12-3-5-17-14-16(7-8-19(17)24)9-10-22-20(25)21(26)23-15-18-6-4-13-27-18/h7-8,14,18H,2-6,9-13,15H2,1H3,(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeyFZFFALPIPBKSAT-SFHVURJKSA-N
XLogP1.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
CID 16837172
N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide
CID 16837312
2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
CID 16837170
1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379546
N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837305
N'-[[(2R)-oxolan-2-yl]methyl]-N-propyloxamide
CID 2290769
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 62096486
N'-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 30576158
N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide
CID 16837538
methyl-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methyl]azanium
CID 6967900
1-(oxolan-2-ylmethyl)-3-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)urea
CID 91812719
N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7688075

Frequently Asked Questions

What is the IUPAC name of N'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
The IUPAC name of N'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide (CID 42065366) is N'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide.
What is the SMILES notation for N'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
The canonical SMILES for N'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide is CCCN1CCCc2cc(CCNC(=O)C(=O)NC[C@@H]3CCCO3)ccc21.
What is the InChIKey of N'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
The InChIKey is FZFFALPIPBKSAT-SFHVURJKSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-2-11-24-12-3-5-17-14-16(7-8-19(17)24)9-10-22-20(25)21(26)23-15-18-6-4-13-27-18/h7-8,14,18H,2-6,9-13,15H2,1H3,(H,22,25)(H,23,26)/t18-/m0/s1.
What are the key properties of N'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
N'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide has a molecular weight of 373.50 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide is sourced from PubChem (CID 42065366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).